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Myosin VI motor domain in the pps state - from a pi release state crystal, space group P212121 after long soaking with PO4

Analyse Myosin VI motor domain in the pps state - from a pi release state crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PK4
Type
protein
Length
758 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Unconventional myosin-VI
UniProt
F1RQI7
Ligands
ADP, MG, PO4
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUnconventional myosin-VIprotein75848% helix, 15% strandF1RQI7

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18680.750.7981empty
25260.730.8261ADP, MG, PO4
31650.690.8833empty
43920.680.8138empty
5570.370.7917empty

Compared structures

  • 4PK4 · Myosin VI motor domain in the PPS state - from a Pi release state crystal, space group… · the same entry in another collection · chain A against A, TM-score 1.00

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